4'-Acetyl-chrysomycin B
HIT218645409
sdf文件结构编辑类似物检索
HIT ID: HIT218645409
Cas No:
分子式: C29H30O10
分子量: 538.549
常用名: 4'-Acetyl-chrysomycin B
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4,5-dihydroxy-6-{15-hydroxy-3,17-dimethoxy-5-methyl-8-oxo-9-oxatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-12-yl}-2,4-dimethyloxan-3-yl acetate
IUPAC: 4,5-dihydroxy-6-{15-hydroxy-3,17-dimethoxy-5-methyl-8-oxo-9-oxatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-12-yl}-2,4-dimethyloxan-3-yl acetate
SMILES: COc1cc(C)cc2c1c1cc(OC)c3c(O)ccc(C4OC(C)C(OC(C)=O)C(C)(O)C4O)c3c1oc2=O
SMILES: COc1cc(C)cc2c1c1cc(OC)c3c(O)ccc(C4OC(C)C(OC(C)=O)C(C)(O)C4O)c3c1oc2=O
InChI key: MOICNMDKCPHILF-UHFFFAOYSA-N
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